Glycoside
GD046395
Name:
NoneFormula:
C14H18O5N2Smiles:
Cc1cccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1C#NAglycone:
Cc1cccc(N)c1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.31 | Num_heavy_atoms: | 21 |
| TPSA: | 125.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD25382
Formula: C8H8N2
Smiles:
Cc1cccc(N)c1C#N| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.17 | Num_heavy_atoms: | 10 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
